Hg5H
Alexandria ALEXAlex-ID: agm005546423 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_282_spg38
HgH4 Hg
2023-05-29 20:39:59.567726
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005546423).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005546423
data_agm005546423
_cell_length_a 5.62782
_cell_length_b 5.60382
_cell_length_c 5.63034
_cell_angle_alpha 89.85091
_cell_angle_beta 119.98515
_cell_angle_gamma 89.99998
_cell_volume 153.79877
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg1 Hg 0.24964 0.50061 0.49928 1.00000
Hg2 Hg 0.37642 0.99992 0.75284 1.00000
Hg3 Hg 0.58237 0.49973 0.16474 1.00000
Hg4 Hg 0.67353 0.99903 0.34706 1.00000
Hg5 Hg 0.93236 0.49834 0.86471 1.00000
H1 H 0.85235 0.00237 0.70470 1.00000
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